(+)-Eudesma-5,7(11)-diene
PubChem CID: 6428860
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| Compound Synonyms | ZQODGIAJYWHYRF-UHFFFAOYSA-N, (+)-Eudesma-5,7(11)-diene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4a-dimethyl-7-propan-2-ylidene-1,2,3,4,5,6-hexahydronaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZQODGIAJYWHYRF-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.434 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.635 |
| Compound Name | (+)-Eudesma-5,7(11)-diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.288513399999999 |
| Inchi | InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10,12H,5-9H2,1-4H3 |
| Smiles | CC1CCCC2(C1=CC(=C(C)C)CC2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Conocephalum Conicum (Plant) Rel Props:Source_db:cmaup_ingredients